N-ethyl-N-[1-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-2-phenylethyl]oxane-4-carboxamide

C29H40N2O3 — CID 118753986

IUPACN-ethyl-N-[1-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-2-phenylethyl]oxane-4-carboxamide
SMILESCCN(C(=O)C1CCOCC1)C(Cc1ccccc1)C1CCN(Cc2ccc(OC)cc2)CC1
InChIInChI=1S/C29H40N2O3/c1-3-31(29(32)26-15-19-34-20-16-26)28(21-23-7-5-4-6-8-23)25-13-17-30(18-14-25)22-24-9-11-27(33-2)12-10-24/h4-12,25-26,28H,3,13-22H2,1-2H3
InChIKeySRNPLFOPQYOWHX-UHFFFAOYSA-N
MW464.65 g/mol
LogP4.79
Rot. Bonds9

About N-ethyl-N-[1-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-2-phenylethyl]oxane-4-carboxamide

N-ethyl-N-[1-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-2-phenylethyl]oxane-4-carboxamide (PubChem CID 118753986) has the molecular formula C29H40N2O3 and a molecular weight of 464.65 g/mol. Its IUPAC name is N-ethyl-N-[1-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-2-phenylethyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[1-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-2-phenylethyl]oxane-4-carboxamide
PubChem CID118753986
Molecular FormulaC29H40N2O3
Molecular Weight464.65 g/mol
Exact Mass464.30
IUPAC NameN-ethyl-N-[1-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-2-phenylethyl]oxane-4-carboxamide
SMILESCCN(C(=O)C1CCOCC1)C(Cc1ccccc1)C1CCN(Cc2ccc(OC)cc2)CC1
InChIInChI=1S/C29H40N2O3/c1-3-31(29(32)26-15-19-34-20-16-26)28(21-23-7-5-4-6-8-23)25-13-17-30(18-14-25)22-24-9-11-27(33-2)12-10-24/h4-12,25-26,28H,3,13-22H2,1-2H3
InChIKeySRNPLFOPQYOWHX-UHFFFAOYSA-N
XLogP4.79
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.65
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-[1-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]-2-phenylethyl]oxane-4-carboxamide
CID 45173615
N-[2-(3,5-difluorophenyl)-1-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]ethyl]-4-pentyl-N-(4-phenylbutyl)benzamide
CID 10009626
N-[(1S)-1-[1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]-2-phenylethyl]-N,1-dimethylpyrazole-3-carboxamide
CID 42237070
N-ethyl-N-[(4-methoxyphenyl)methyl]oxane-4-carboxamide
CID 52572788
N-benzyl-1-[(4-methoxyphenyl)methyl]-N-methylpiperidin-4-amine;oxalic acid
CID 2910855
N-[(1R)-1-[1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-4-yl]-2-phenylethyl]-N,2-dimethylpropanamide
CID 42236999
1-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-3-(oxan-4-ylmethyl)urea
CID 138041433
N-ethyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]oxane-4-carboxamide
CID 52574182
(2S)-2-hydroxy-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]acetamide
CID 129489219
N-[(1-benzylpiperidin-4-yl)methyl]-2-(4-methoxyphenyl)acetamide
CID 16895674
1-[(4-methoxyphenyl)methyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 51361840
N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methylidene]hydroxylamine
CID 174370843

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[1-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-2-phenylethyl]oxane-4-carboxamide?
The IUPAC name of N-ethyl-N-[1-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-2-phenylethyl]oxane-4-carboxamide (CID 118753986) is N-ethyl-N-[1-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-2-phenylethyl]oxane-4-carboxamide.
What is the SMILES notation for N-ethyl-N-[1-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-2-phenylethyl]oxane-4-carboxamide?
The canonical SMILES for N-ethyl-N-[1-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-2-phenylethyl]oxane-4-carboxamide is CCN(C(=O)C1CCOCC1)C(Cc1ccccc1)C1CCN(Cc2ccc(OC)cc2)CC1.
What is the InChIKey of N-ethyl-N-[1-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-2-phenylethyl]oxane-4-carboxamide?
The InChIKey is SRNPLFOPQYOWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40N2O3/c1-3-31(29(32)26-15-19-34-20-16-26)28(21-23-7-5-4-6-8-23)25-13-17-30(18-14-25)22-24-9-11-27(33-2)12-10-24/h4-12,25-26,28H,3,13-22H2,1-2H3.
What are the key properties of N-ethyl-N-[1-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-2-phenylethyl]oxane-4-carboxamide?
N-ethyl-N-[1-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-2-phenylethyl]oxane-4-carboxamide has a molecular weight of 464.65 g/mol, XLogP of 4.79, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[1-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-2-phenylethyl]oxane-4-carboxamide is sourced from PubChem (CID 118753986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).